3-(5,6-dimethyl-1H-benzimidazol-2-yl)-N-[(3S,4S)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]propanamide

C20H30N4O2 — CID 118767754

IUPAC3-(5,6-dimethyl-1H-benzimidazol-2-yl)-N-[(3S,4S)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]propanamide
SMILESCO[C@H]1CN(C(C)C)C[C@@H]1NC(=O)CCc1nc2cc(C)c(C)cc2[nH]1
InChIInChI=1S/C20H30N4O2/c1-12(2)24-10-17(18(11-24)26-5)23-20(25)7-6-19-21-15-8-13(3)14(4)9-16(15)22-19/h8-9,12,17-18H,6-7,10-11H2,1-5H3,(H,21,22)(H,23,25)/t17-,18-/m0/s1
InChIKeyKKBXPKOXGAZPNU-ROUUACIJSA-N
MW358.49 g/mol
LogP2.34
Rot. Bonds6

About 3-(5,6-dimethyl-1H-benzimidazol-2-yl)-N-[(3S,4S)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]propanamide

3-(5,6-dimethyl-1H-benzimidazol-2-yl)-N-[(3S,4S)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]propanamide (PubChem CID 118767754) has the molecular formula C20H30N4O2 and a molecular weight of 358.49 g/mol. Its IUPAC name is 3-(5,6-dimethyl-1H-benzimidazol-2-yl)-N-[(3S,4S)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]propanamide.

Molecular Properties

Compound Name3-(5,6-dimethyl-1H-benzimidazol-2-yl)-N-[(3S,4S)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]propanamide
PubChem CID118767754
Molecular FormulaC20H30N4O2
Molecular Weight358.49 g/mol
Exact Mass358.24
IUPAC Name3-(5,6-dimethyl-1H-benzimidazol-2-yl)-N-[(3S,4S)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]propanamide
SMILESCO[C@H]1CN(C(C)C)C[C@@H]1NC(=O)CCc1nc2cc(C)c(C)cc2[nH]1
InChIInChI=1S/C20H30N4O2/c1-12(2)24-10-17(18(11-24)26-5)23-20(25)7-6-19-21-15-8-13(3)14(4)9-16(15)22-19/h8-9,12,17-18H,6-7,10-11H2,1-5H3,(H,21,22)(H,23,25)/t17-,18-/m0/s1
InChIKeyKKBXPKOXGAZPNU-ROUUACIJSA-N
XLogP2.34
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.49
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Pf-06305591
CID 71666749
N-Cyclopentyl-1-(1-isopropyl-5,6-dimethyl-1H-benzo[d]imidazol-2-yl)piperidine-4-carboxamide
CID 67033699
3-(5,6-dimethyl-1H-1,3-benzimidazol-2-yl)-2(1H)-pyridinone
CID 2768946
2-[4-(5,6-Dimethyl-1H-benzoimidazol-2-yl)-piperidin-1-yl]-N,N-diethyl-acetamide
CID 24746944
N-Allyl-2-[4-(5,6-dimethyl-1H-benzoimidazol-2-yl)-piperidin-1-yl]-acetamide
CID 24761073
N-[(2S,3S)-1-[(2,4-dimethylphenyl)methylamino]-3-hydroxyhexan-2-yl]-2-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]acetamide
CID 11213695
N-[(2R)-2-[[(3R,4R)-4-(2,5-dimethylbenzimidazol-1-yl)-3-methoxypiperidin-1-yl]methyl]-2,3-dihydro-1H-inden-5-yl]-2-methylpropanamide
CID 44455443
(1R,2R)-1-(6-tert-butyl-1H-benzimidazol-2-yl)-2-methoxypropan-1-amine
CID 71666750
(3S)-3-Amino-3-(5-tert-butyl-1H-benzimidazol-2-yl)-2,2-dimethylpropanamide
CID 86699080
(3R)-3-amino-3-(6-tert-butyl-1H-benzimidazol-2-yl)propanamide
CID 89845320
(3R,5R)-5-(6-tert-butyl-1H-benzimidazol-2-yl)pyrrolidin-3-ol
CID 89845361
2-[(6-methyl-1H-benzimidazol-2-yl)methyl]-4-morpholin-4-yl-1H-pyrimidin-6-one
CID 136041785

Frequently Asked Questions

What is the IUPAC name of 3-(5,6-dimethyl-1H-benzimidazol-2-yl)-N-[(3S,4S)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]propanamide?
The IUPAC name of 3-(5,6-dimethyl-1H-benzimidazol-2-yl)-N-[(3S,4S)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]propanamide (CID 118767754) is 3-(5,6-dimethyl-1H-benzimidazol-2-yl)-N-[(3S,4S)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]propanamide.
What is the SMILES notation for 3-(5,6-dimethyl-1H-benzimidazol-2-yl)-N-[(3S,4S)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]propanamide?
The canonical SMILES for 3-(5,6-dimethyl-1H-benzimidazol-2-yl)-N-[(3S,4S)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]propanamide is CO[C@H]1CN(C(C)C)C[C@@H]1NC(=O)CCc1nc2cc(C)c(C)cc2[nH]1.
What is the InChIKey of 3-(5,6-dimethyl-1H-benzimidazol-2-yl)-N-[(3S,4S)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]propanamide?
The InChIKey is KKBXPKOXGAZPNU-ROUUACIJSA-N. The full InChI is InChI=1S/C20H30N4O2/c1-12(2)24-10-17(18(11-24)26-5)23-20(25)7-6-19-21-15-8-13(3)14(4)9-16(15)22-19/h8-9,12,17-18H,6-7,10-11H2,1-5H3,(H,21,22)(H,23,25)/t17-,18-/m0/s1.
What are the key properties of 3-(5,6-dimethyl-1H-benzimidazol-2-yl)-N-[(3S,4S)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]propanamide?
3-(5,6-dimethyl-1H-benzimidazol-2-yl)-N-[(3S,4S)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]propanamide has a molecular weight of 358.49 g/mol, XLogP of 2.34, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5,6-dimethyl-1H-benzimidazol-2-yl)-N-[(3S,4S)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]propanamide is sourced from PubChem (CID 118767754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).