1H-benzimidazol-2-ylmethyl-[3,3-dimethyl-2-[4-(morpholine-4-carbonyl)-1,3-thiazol-2-yl]butyl]carbamic acid

C23H29N5O4S — CID 129052878

IUPAC1H-benzimidazol-2-ylmethyl-[3,3-dimethyl-2-[4-(morpholine-4-carbonyl)-1,3-thiazol-2-yl]butyl]carbamic acid
SMILESCC(C)(C)C(CN(Cc1nc2ccccc2[nH]1)C(=O)O)c1nc(C(=O)N2CCOCC2)cs1
InChIInChI=1S/C23H29N5O4S/c1-23(2,3)15(20-26-18(14-33-20)21(29)27-8-10-32-11-9-27)12-28(22(30)31)13-19-24-16-6-4-5-7-17(16)25-19/h4-7,14-15H,8-13H2,1-3H3,(H,24,25)(H,30,31)
InChIKeyQQNXVOUMTNFBKU-UHFFFAOYSA-N
MW471.58 g/mol
LogP3.80
Rot. Bonds6

About 1H-benzimidazol-2-ylmethyl-[3,3-dimethyl-2-[4-(morpholine-4-carbonyl)-1,3-thiazol-2-yl]butyl]carbamic acid

1H-benzimidazol-2-ylmethyl-[3,3-dimethyl-2-[4-(morpholine-4-carbonyl)-1,3-thiazol-2-yl]butyl]carbamic acid (PubChem CID 129052878) has the molecular formula C23H29N5O4S and a molecular weight of 471.58 g/mol. Its IUPAC name is 1H-benzimidazol-2-ylmethyl-[3,3-dimethyl-2-[4-(morpholine-4-carbonyl)-1,3-thiazol-2-yl]butyl]carbamic acid.

Molecular Properties

Compound Name1H-benzimidazol-2-ylmethyl-[3,3-dimethyl-2-[4-(morpholine-4-carbonyl)-1,3-thiazol-2-yl]butyl]carbamic acid
PubChem CID129052878
Molecular FormulaC23H29N5O4S
Molecular Weight471.58 g/mol
Exact Mass471.19
IUPAC Name1H-benzimidazol-2-ylmethyl-[3,3-dimethyl-2-[4-(morpholine-4-carbonyl)-1,3-thiazol-2-yl]butyl]carbamic acid
SMILESCC(C)(C)C(CN(Cc1nc2ccccc2[nH]1)C(=O)O)c1nc(C(=O)N2CCOCC2)cs1
InChIInChI=1S/C23H29N5O4S/c1-23(2,3)15(20-26-18(14-33-20)21(29)27-8-10-32-11-9-27)12-28(22(30)31)13-19-24-16-6-4-5-7-17(16)25-19/h4-7,14-15H,8-13H2,1-3H3,(H,24,25)(H,30,31)
InChIKeyQQNXVOUMTNFBKU-UHFFFAOYSA-N
XLogP3.80
TPSA111.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.58
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1H-benzimidazol-2-ylmethyl-[3,3-dimethyl-2-[4-(morpholine-4-carbonyl)-1,3-thiazol-2-yl]butyl]carbamic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1H-benzimidazol-2-ylmethyl-[3,3-dimethyl-2-[4-(5,6,7,8-tetrahydroquinolin-8-ylmethylcarbamoyl)-1,3-thiazol-2-yl]butyl]carbamic acid
CID 129052631
morpholin-4-yl-[2-(phenoxymethyl)-1,3-thiazol-4-yl]methanone
CID 24712645
tert-butyl N-(1H-benzimidazol-2-ylmethyl)-N-[2-[4-[benzyl(methyl)carbamoyl]-1,3-thiazol-2-yl]ethyl]carbamate
CID 129052215
[(3S)-3-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]-(2-propyl-1,3-thiazol-4-yl)methanone
CID 97131598
2-[4-(1H-benzimidazol-2-yl)butyl]-N-benzyl-N-methyl-1,3-thiazole-4-carboxamide
CID 162012350
[2-(aminomethyl)-1,3-thiazol-4-yl]-morpholin-4-ylmethanone
CID 66376431
morpholin-4-yl-[2-(2-propan-2-yloxyphenyl)-1,3-thiazol-4-yl]methanone
CID 46067271
1-[6-(morpholine-4-carbonyl)-1H-benzimidazol-2-yl]propan-2-one
CID 135163730
1-(1H-benzimidazol-2-ylmethyl)-2-(morpholin-4-ylmethyl)benzimidazole-5-carboxylic acid
CID 22181904
[6-(2-methylpropylamino)-2-phenylpyrimidin-4-yl]-morpholin-4-ylmethanone
CID 112852347
acetic acid;1,3-bis[bis(1H-benzimidazol-2-ylmethyl)amino]propan-2-ol;manganese
CID 91867985
(E)-2-(1H-benzimidazol-2-yl)-3-(4-bromothiophen-2-yl)-1-morpholin-4-ylprop-2-en-1-one
CID 17457378

Frequently Asked Questions

What is the IUPAC name of 1H-benzimidazol-2-ylmethyl-[3,3-dimethyl-2-[4-(morpholine-4-carbonyl)-1,3-thiazol-2-yl]butyl]carbamic acid?
The IUPAC name of 1H-benzimidazol-2-ylmethyl-[3,3-dimethyl-2-[4-(morpholine-4-carbonyl)-1,3-thiazol-2-yl]butyl]carbamic acid (CID 129052878) is 1H-benzimidazol-2-ylmethyl-[3,3-dimethyl-2-[4-(morpholine-4-carbonyl)-1,3-thiazol-2-yl]butyl]carbamic acid.
What is the SMILES notation for 1H-benzimidazol-2-ylmethyl-[3,3-dimethyl-2-[4-(morpholine-4-carbonyl)-1,3-thiazol-2-yl]butyl]carbamic acid?
The canonical SMILES for 1H-benzimidazol-2-ylmethyl-[3,3-dimethyl-2-[4-(morpholine-4-carbonyl)-1,3-thiazol-2-yl]butyl]carbamic acid is CC(C)(C)C(CN(Cc1nc2ccccc2[nH]1)C(=O)O)c1nc(C(=O)N2CCOCC2)cs1.
What is the InChIKey of 1H-benzimidazol-2-ylmethyl-[3,3-dimethyl-2-[4-(morpholine-4-carbonyl)-1,3-thiazol-2-yl]butyl]carbamic acid?
The InChIKey is QQNXVOUMTNFBKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5O4S/c1-23(2,3)15(20-26-18(14-33-20)21(29)27-8-10-32-11-9-27)12-28(22(30)31)13-19-24-16-6-4-5-7-17(16)25-19/h4-7,14-15H,8-13H2,1-3H3,(H,24,25)(H,30,31).
What are the key properties of 1H-benzimidazol-2-ylmethyl-[3,3-dimethyl-2-[4-(morpholine-4-carbonyl)-1,3-thiazol-2-yl]butyl]carbamic acid?
1H-benzimidazol-2-ylmethyl-[3,3-dimethyl-2-[4-(morpholine-4-carbonyl)-1,3-thiazol-2-yl]butyl]carbamic acid has a molecular weight of 471.58 g/mol, XLogP of 3.80, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-benzimidazol-2-ylmethyl-[3,3-dimethyl-2-[4-(morpholine-4-carbonyl)-1,3-thiazol-2-yl]butyl]carbamic acid is sourced from PubChem (CID 129052878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).