N-[2-(2-methylbenzimidazol-1-yl)ethyl]-2-[methyl-[(3R)-thiolan-3-yl]amino]acetamide

C17H24N4OS — CID 97074619

IUPACN-[2-(2-methylbenzimidazol-1-yl)ethyl]-2-[methyl-[(3R)-thiolan-3-yl]amino]acetamide
SMILESCc1nc2ccccc2n1CCNC(=O)CN(C)[C@@H]1CCSC1
InChIInChI=1S/C17H24N4OS/c1-13-19-15-5-3-4-6-16(15)21(13)9-8-18-17(22)11-20(2)14-7-10-23-12-14/h3-6,14H,7-12H2,1-2H3,(H,18,22)/t14-/m1/s1
InChIKeyDXMCNHIJGNTJNQ-CQSZACIVSA-N
MW332.47 g/mol
LogP1.90
Rot. Bonds6

About N-[2-(2-methylbenzimidazol-1-yl)ethyl]-2-[methyl-[(3R)-thiolan-3-yl]amino]acetamide

N-[2-(2-methylbenzimidazol-1-yl)ethyl]-2-[methyl-[(3R)-thiolan-3-yl]amino]acetamide (PubChem CID 97074619) has the molecular formula C17H24N4OS and a molecular weight of 332.47 g/mol. Its IUPAC name is N-[2-(2-methylbenzimidazol-1-yl)ethyl]-2-[methyl-[(3R)-thiolan-3-yl]amino]acetamide.

Molecular Properties

Compound NameN-[2-(2-methylbenzimidazol-1-yl)ethyl]-2-[methyl-[(3R)-thiolan-3-yl]amino]acetamide
PubChem CID97074619
Molecular FormulaC17H24N4OS
Molecular Weight332.47 g/mol
Exact Mass332.17
IUPAC NameN-[2-(2-methylbenzimidazol-1-yl)ethyl]-2-[methyl-[(3R)-thiolan-3-yl]amino]acetamide
SMILESCc1nc2ccccc2n1CCNC(=O)CN(C)[C@@H]1CCSC1
InChIInChI=1S/C17H24N4OS/c1-13-19-15-5-3-4-6-16(15)21(13)9-8-18-17(22)11-20(2)14-7-10-23-12-14/h3-6,14H,7-12H2,1-2H3,(H,18,22)/t14-/m1/s1
InChIKeyDXMCNHIJGNTJNQ-CQSZACIVSA-N
XLogP1.90
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.47
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[formyl(methyl)amino]-N-[2-(2-methylbenzimidazol-1-yl)ethyl]acetamide
CID 142104705
3-cyclopentyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]propanamide
CID 18086784
2-(cyclopropylmethylamino)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]acetamide
CID 61273474
3-(cyclopropylamino)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]propanamide
CID 61276333
N-[2-[2-(2-methylbenzimidazol-1-yl)ethylamino]-2-oxoethyl]cyclohexanecarboxamide
CID 24554300
2-(cyclopropylmethoxy)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]acetamide
CID 51080822
3-amino-N-[2-(2-methylbenzimidazol-1-yl)ethyl]butanamide
CID 61276149
N-[2-(2-methylbenzimidazol-1-yl)ethyl]thian-4-amine
CID 43394941
2-[(1R)-cyclopent-2-en-1-yl]-N-[2-(2-methylbenzimidazol-1-yl)ethyl]acetamide
CID 40716683
N-[2-(2-methylbenzimidazol-1-yl)ethyl]-1,3-thiazolidine-4-carboxamide
CID 61274604
N-[2-(2-methylbenzimidazol-1-yl)ethyl]thian-3-amine
CID 62871960
N-[3-(2-methylbenzimidazol-1-yl)propyl]-2-[methyl(propan-2-yl)amino]acetamide
CID 47082344

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methylbenzimidazol-1-yl)ethyl]-2-[methyl-[(3R)-thiolan-3-yl]amino]acetamide?
The IUPAC name of N-[2-(2-methylbenzimidazol-1-yl)ethyl]-2-[methyl-[(3R)-thiolan-3-yl]amino]acetamide (CID 97074619) is N-[2-(2-methylbenzimidazol-1-yl)ethyl]-2-[methyl-[(3R)-thiolan-3-yl]amino]acetamide.
What is the SMILES notation for N-[2-(2-methylbenzimidazol-1-yl)ethyl]-2-[methyl-[(3R)-thiolan-3-yl]amino]acetamide?
The canonical SMILES for N-[2-(2-methylbenzimidazol-1-yl)ethyl]-2-[methyl-[(3R)-thiolan-3-yl]amino]acetamide is Cc1nc2ccccc2n1CCNC(=O)CN(C)[C@@H]1CCSC1.
What is the InChIKey of N-[2-(2-methylbenzimidazol-1-yl)ethyl]-2-[methyl-[(3R)-thiolan-3-yl]amino]acetamide?
The InChIKey is DXMCNHIJGNTJNQ-CQSZACIVSA-N. The full InChI is InChI=1S/C17H24N4OS/c1-13-19-15-5-3-4-6-16(15)21(13)9-8-18-17(22)11-20(2)14-7-10-23-12-14/h3-6,14H,7-12H2,1-2H3,(H,18,22)/t14-/m1/s1.
What are the key properties of N-[2-(2-methylbenzimidazol-1-yl)ethyl]-2-[methyl-[(3R)-thiolan-3-yl]amino]acetamide?
N-[2-(2-methylbenzimidazol-1-yl)ethyl]-2-[methyl-[(3R)-thiolan-3-yl]amino]acetamide has a molecular weight of 332.47 g/mol, XLogP of 1.90, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methylbenzimidazol-1-yl)ethyl]-2-[methyl-[(3R)-thiolan-3-yl]amino]acetamide is sourced from PubChem (CID 97074619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).