N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-4-[3-(1-methylbenzimidazol-2-yl)propanoyl]morpholine-2-carboxamide

C24H25ClN6O3 — CID 110082542

IUPACN-[(6-chloro-1H-benzimidazol-2-yl)methyl]-4-[3-(1-methylbenzimidazol-2-yl)propanoyl]morpholine-2-carboxamide
SMILESCn1c(CCC(=O)N2CCOC(C(=O)NCc3nc4ccc(Cl)cc4[nH]3)C2)nc2ccccc21
InChIInChI=1S/C24H25ClN6O3/c1-30-19-5-3-2-4-17(19)29-22(30)8-9-23(32)31-10-11-34-20(14-31)24(33)26-13-21-27-16-7-6-15(25)12-18(16)28-21/h2-7,12,20H,8-11,13-14H2,1H3,(H,26,33)(H,27,28)
InChIKeyPURFZXDAASZOLI-UHFFFAOYSA-N
MW480.96 g/mol
LogP2.58
Rot. Bonds6

About N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-4-[3-(1-methylbenzimidazol-2-yl)propanoyl]morpholine-2-carboxamide

N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-4-[3-(1-methylbenzimidazol-2-yl)propanoyl]morpholine-2-carboxamide (PubChem CID 110082542) has the molecular formula C24H25ClN6O3 and a molecular weight of 480.96 g/mol. Its IUPAC name is N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-4-[3-(1-methylbenzimidazol-2-yl)propanoyl]morpholine-2-carboxamide.

Molecular Properties

Compound NameN-[(6-chloro-1H-benzimidazol-2-yl)methyl]-4-[3-(1-methylbenzimidazol-2-yl)propanoyl]morpholine-2-carboxamide
PubChem CID110082542
Molecular FormulaC24H25ClN6O3
Molecular Weight480.96 g/mol
Exact Mass480.17
IUPAC NameN-[(6-chloro-1H-benzimidazol-2-yl)methyl]-4-[3-(1-methylbenzimidazol-2-yl)propanoyl]morpholine-2-carboxamide
SMILESCn1c(CCC(=O)N2CCOC(C(=O)NCc3nc4ccc(Cl)cc4[nH]3)C2)nc2ccccc21
InChIInChI=1S/C24H25ClN6O3/c1-30-19-5-3-2-4-17(19)29-22(30)8-9-23(32)31-10-11-34-20(14-31)24(33)26-13-21-27-16-7-6-15(25)12-18(16)28-21/h2-7,12,20H,8-11,13-14H2,1H3,(H,26,33)(H,27,28)
InChIKeyPURFZXDAASZOLI-UHFFFAOYSA-N
XLogP2.58
TPSA105.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.96
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(6-chloro-1H-benzimidazol-2-yl)methyl]oxane-2-carboxamide
CID 118795559
4-ethyl-N-[2-(1-methylbenzimidazol-2-yl)ethyl]morpholine-2-carboxamide
CID 71984927
3-(1H-benzimidazol-2-yl)-1-[(3S)-3-[(6-chloro-1H-benzimidazol-2-yl)methyl]piperidin-1-yl]propan-1-one
CID 92627755
2-(6-chloro-1H-benzimidazol-2-yl)-N-[3-(1-methylbenzimidazol-2-yl)propyl]cyclohexane-1-carboxamide
CID 75401240
N-(1H-benzimidazol-2-ylmethyl)-1,4-dioxane-2-carboxamide
CID 47178137
3-(1H-benzimidazol-2-yl)-1-[2-[(5-chloro-3-pyridinyl)oxymethyl]morpholin-4-yl]propan-1-one
CID 3745708
4-(1H-benzimidazol-2-yl)-1-(2-methylmorpholin-4-yl)butan-1-one
CID 46411383
N-[3-(1-methylbenzimidazol-2-yl)propyl]oxolane-2-carboxamide
CID 16981769
N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxamide
CID 56882007
3-(1H-benzimidazol-2-yl)-1-[(2S)-2-[(4-methoxyphenyl)methyl]morpholin-4-yl]propan-1-one
CID 95455767
cis-(1R,3S)-3-[(6-chloro-1H-benzimidazol-2-yl)methylcarbamoyl]cyclopentane-1-carboxylic acid
CID 118769244
N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-4-(3-hydroxypropyl)piperazine-1-carboxamide
CID 119068891

Frequently Asked Questions

What is the IUPAC name of N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-4-[3-(1-methylbenzimidazol-2-yl)propanoyl]morpholine-2-carboxamide?
The IUPAC name of N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-4-[3-(1-methylbenzimidazol-2-yl)propanoyl]morpholine-2-carboxamide (CID 110082542) is N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-4-[3-(1-methylbenzimidazol-2-yl)propanoyl]morpholine-2-carboxamide.
What is the SMILES notation for N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-4-[3-(1-methylbenzimidazol-2-yl)propanoyl]morpholine-2-carboxamide?
The canonical SMILES for N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-4-[3-(1-methylbenzimidazol-2-yl)propanoyl]morpholine-2-carboxamide is Cn1c(CCC(=O)N2CCOC(C(=O)NCc3nc4ccc(Cl)cc4[nH]3)C2)nc2ccccc21.
What is the InChIKey of N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-4-[3-(1-methylbenzimidazol-2-yl)propanoyl]morpholine-2-carboxamide?
The InChIKey is PURFZXDAASZOLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClN6O3/c1-30-19-5-3-2-4-17(19)29-22(30)8-9-23(32)31-10-11-34-20(14-31)24(33)26-13-21-27-16-7-6-15(25)12-18(16)28-21/h2-7,12,20H,8-11,13-14H2,1H3,(H,26,33)(H,27,28).
What are the key properties of N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-4-[3-(1-methylbenzimidazol-2-yl)propanoyl]morpholine-2-carboxamide?
N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-4-[3-(1-methylbenzimidazol-2-yl)propanoyl]morpholine-2-carboxamide has a molecular weight of 480.96 g/mol, XLogP of 2.58, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-4-[3-(1-methylbenzimidazol-2-yl)propanoyl]morpholine-2-carboxamide is sourced from PubChem (CID 110082542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).