2-[4-[(1H-benzimidazol-2-ylamino)methyl]piperidin-1-yl]-N-tert-butylacetamide

C19H29N5O — CID 133410842

IUPAC2-[4-[(1H-benzimidazol-2-ylamino)methyl]piperidin-1-yl]-N-tert-butylacetamide
SMILESCC(C)(C)NC(=O)CN1CCC(CNc2nc3ccccc3[nH]2)CC1
InChIInChI=1S/C19H29N5O/c1-19(2,3)23-17(25)13-24-10-8-14(9-11-24)12-20-18-21-15-6-4-5-7-16(15)22-18/h4-7,14H,8-13H2,1-3H3,(H,23,25)(H2,20,21,22)
InChIKeySOTFHAJHFPERFH-UHFFFAOYSA-N
MW343.48 g/mol
LogP2.60
Rot. Bonds5

About 2-[4-[(1H-benzimidazol-2-ylamino)methyl]piperidin-1-yl]-N-tert-butylacetamide

2-[4-[(1H-benzimidazol-2-ylamino)methyl]piperidin-1-yl]-N-tert-butylacetamide (PubChem CID 133410842) has the molecular formula C19H29N5O and a molecular weight of 343.48 g/mol. Its IUPAC name is 2-[4-[(1H-benzimidazol-2-ylamino)methyl]piperidin-1-yl]-N-tert-butylacetamide.

Molecular Properties

Compound Name2-[4-[(1H-benzimidazol-2-ylamino)methyl]piperidin-1-yl]-N-tert-butylacetamide
PubChem CID133410842
Molecular FormulaC19H29N5O
Molecular Weight343.48 g/mol
Exact Mass343.24
IUPAC Name2-[4-[(1H-benzimidazol-2-ylamino)methyl]piperidin-1-yl]-N-tert-butylacetamide
SMILESCC(C)(C)NC(=O)CN1CCC(CNc2nc3ccccc3[nH]2)CC1
InChIInChI=1S/C19H29N5O/c1-19(2,3)23-17(25)13-24-10-8-14(9-11-24)12-20-18-21-15-6-4-5-7-16(15)22-18/h4-7,14H,8-13H2,1-3H3,(H,23,25)(H2,20,21,22)
InChIKeySOTFHAJHFPERFH-UHFFFAOYSA-N
XLogP2.60
TPSA73.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.48
LogP ≤ 52.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-1H-benzimidazol-2-amine
CID 133410029
N-(cyclohexylmethyl)-1H-benzimidazol-2-amine
CID 18685672
2-[4-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]-N-carbamoylacetamide
CID 122155584
N-[[1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]-1H-benzimidazol-2-amine
CID 133409978
ethyl 2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methylamino]-3H-benzimidazole-5-carboxylate
CID 69066675
N-tert-butyl-2-[4-[[(8-fluoroquinazolin-4-yl)amino]methyl]piperidin-1-yl]acetamide
CID 119049557
N-tert-butyl-2-[4-[[(3-hydroxyphenyl)methylamino]methyl]piperidin-1-yl]acetamide
CID 71975773
2-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-N-cyclopentylacetamide
CID 16810435
2-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-N-cyclohexylacetamide
CID 16810436
N-tert-butyl-2-[4-[(2-methylpropylamino)methyl]piperidin-1-yl]acetamide
CID 63848272
tert-butyl N-[4-(1H-benzimidazol-2-ylamino)cyclohexyl]carbamate
CID 133410404
N-tert-butyl-2-[4-(7,8-dihydro-3H-[1,4]dioxino[2,3-e]benzimidazol-2-ylmethyl)piperidin-1-yl]acetamide
CID 118554447

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(1H-benzimidazol-2-ylamino)methyl]piperidin-1-yl]-N-tert-butylacetamide?
The IUPAC name of 2-[4-[(1H-benzimidazol-2-ylamino)methyl]piperidin-1-yl]-N-tert-butylacetamide (CID 133410842) is 2-[4-[(1H-benzimidazol-2-ylamino)methyl]piperidin-1-yl]-N-tert-butylacetamide.
What is the SMILES notation for 2-[4-[(1H-benzimidazol-2-ylamino)methyl]piperidin-1-yl]-N-tert-butylacetamide?
The canonical SMILES for 2-[4-[(1H-benzimidazol-2-ylamino)methyl]piperidin-1-yl]-N-tert-butylacetamide is CC(C)(C)NC(=O)CN1CCC(CNc2nc3ccccc3[nH]2)CC1.
What is the InChIKey of 2-[4-[(1H-benzimidazol-2-ylamino)methyl]piperidin-1-yl]-N-tert-butylacetamide?
The InChIKey is SOTFHAJHFPERFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N5O/c1-19(2,3)23-17(25)13-24-10-8-14(9-11-24)12-20-18-21-15-6-4-5-7-16(15)22-18/h4-7,14H,8-13H2,1-3H3,(H,23,25)(H2,20,21,22).
What are the key properties of 2-[4-[(1H-benzimidazol-2-ylamino)methyl]piperidin-1-yl]-N-tert-butylacetamide?
2-[4-[(1H-benzimidazol-2-ylamino)methyl]piperidin-1-yl]-N-tert-butylacetamide has a molecular weight of 343.48 g/mol, XLogP of 2.60, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(1H-benzimidazol-2-ylamino)methyl]piperidin-1-yl]-N-tert-butylacetamide is sourced from PubChem (CID 133410842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).