(3S)-N-[2-(1-propan-2-ylbenzimidazol-2-yl)ethyl]-3-pyrrol-1-ylbutanamide

C20H26N4O — CID 95773068

IUPAC(3S)-N-[2-(1-propan-2-ylbenzimidazol-2-yl)ethyl]-3-pyrrol-1-ylbutanamide
SMILESCC(C)n1c(CCNC(=O)C[C@H](C)n2cccc2)nc2ccccc21
InChIInChI=1S/C20H26N4O/c1-15(2)24-18-9-5-4-8-17(18)22-19(24)10-11-21-20(25)14-16(3)23-12-6-7-13-23/h4-9,12-13,15-16H,10-11,14H2,1-3H3,(H,21,25)/t16-/m0/s1
InChIKeyHGQOFEQPAPULJK-INIZCTEOSA-N
MW338.45 g/mol
LogP3.73
Rot. Bonds7

About (3S)-N-[2-(1-propan-2-ylbenzimidazol-2-yl)ethyl]-3-pyrrol-1-ylbutanamide

(3S)-N-[2-(1-propan-2-ylbenzimidazol-2-yl)ethyl]-3-pyrrol-1-ylbutanamide (PubChem CID 95773068) has the molecular formula C20H26N4O and a molecular weight of 338.45 g/mol. Its IUPAC name is (3S)-N-[2-(1-propan-2-ylbenzimidazol-2-yl)ethyl]-3-pyrrol-1-ylbutanamide.

Molecular Properties

Compound Name(3S)-N-[2-(1-propan-2-ylbenzimidazol-2-yl)ethyl]-3-pyrrol-1-ylbutanamide
PubChem CID95773068
Molecular FormulaC20H26N4O
Molecular Weight338.45 g/mol
Exact Mass338.21
IUPAC Name(3S)-N-[2-(1-propan-2-ylbenzimidazol-2-yl)ethyl]-3-pyrrol-1-ylbutanamide
SMILESCC(C)n1c(CCNC(=O)C[C@H](C)n2cccc2)nc2ccccc21
InChIInChI=1S/C20H26N4O/c1-15(2)24-18-9-5-4-8-17(18)22-19(24)10-11-21-20(25)14-16(3)23-12-6-7-13-23/h4-9,12-13,15-16H,10-11,14H2,1-3H3,(H,21,25)/t16-/m0/s1
InChIKeyHGQOFEQPAPULJK-INIZCTEOSA-N
XLogP3.73
TPSA51.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3,5-dioxo-2H-1,2,4-triazin-6-yl)-N-[2-(1-propan-2-ylbenzimidazol-2-yl)ethyl]propanamide
CID 91821682
3-piperidin-3-yl-N-[2-(1-propan-2-ylbenzimidazol-2-yl)ethyl]butanamide;dihydrochloride
CID 119888838
2-(5-methoxy-2-methyl-4-oxo-1-pyridinyl)-N-[2-(1-propan-2-ylbenzimidazol-2-yl)ethyl]acetamide
CID 91639261
N-[2-(1-propan-2-ylbenzimidazol-2-yl)ethyl]propan-2-amine
CID 60834225
3-methyl-N-[2-(1-propan-2-ylbenzimidazol-2-yl)ethyl]benzamide
CID 4106595
N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]acetamide
CID 751074
2-(2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl)-N-[2-(1-propan-2-ylbenzimidazol-2-yl)ethyl]acetamide
CID 135639814
2-methyl-6-oxo-N-[2-(1-propan-2-ylbenzimidazol-2-yl)ethyl]-1H-pyridine-3-carboxamide
CID 122150093
N-[2-(1-propan-2-ylbenzimidazol-2-yl)ethyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride
CID 119942258
N-[2-(1-propan-2-ylbenzimidazol-2-yl)ethyl]aniline
CID 60835042
3-amino-N-[2-(1-propan-2-ylbenzimidazol-2-yl)ethyl]cyclopentane-1-carboxamide
CID 119888825
4-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-N-[2-(1-propan-2-ylbenzimidazol-2-yl)ethyl]butanamide
CID 71703618

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[2-(1-propan-2-ylbenzimidazol-2-yl)ethyl]-3-pyrrol-1-ylbutanamide?
The IUPAC name of (3S)-N-[2-(1-propan-2-ylbenzimidazol-2-yl)ethyl]-3-pyrrol-1-ylbutanamide (CID 95773068) is (3S)-N-[2-(1-propan-2-ylbenzimidazol-2-yl)ethyl]-3-pyrrol-1-ylbutanamide.
What is the SMILES notation for (3S)-N-[2-(1-propan-2-ylbenzimidazol-2-yl)ethyl]-3-pyrrol-1-ylbutanamide?
The canonical SMILES for (3S)-N-[2-(1-propan-2-ylbenzimidazol-2-yl)ethyl]-3-pyrrol-1-ylbutanamide is CC(C)n1c(CCNC(=O)C[C@H](C)n2cccc2)nc2ccccc21.
What is the InChIKey of (3S)-N-[2-(1-propan-2-ylbenzimidazol-2-yl)ethyl]-3-pyrrol-1-ylbutanamide?
The InChIKey is HGQOFEQPAPULJK-INIZCTEOSA-N. The full InChI is InChI=1S/C20H26N4O/c1-15(2)24-18-9-5-4-8-17(18)22-19(24)10-11-21-20(25)14-16(3)23-12-6-7-13-23/h4-9,12-13,15-16H,10-11,14H2,1-3H3,(H,21,25)/t16-/m0/s1.
What are the key properties of (3S)-N-[2-(1-propan-2-ylbenzimidazol-2-yl)ethyl]-3-pyrrol-1-ylbutanamide?
(3S)-N-[2-(1-propan-2-ylbenzimidazol-2-yl)ethyl]-3-pyrrol-1-ylbutanamide has a molecular weight of 338.45 g/mol, XLogP of 3.73, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[2-(1-propan-2-ylbenzimidazol-2-yl)ethyl]-3-pyrrol-1-ylbutanamide is sourced from PubChem (CID 95773068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).