(3S)-3-[(dimethylamino)methyl]-N-[2-(1-ethylbenzimidazol-2-yl)ethyl]pyrrolidine-1-carboxamide

C19H29N5O — CID 99626639

IUPAC(3S)-3-[(dimethylamino)methyl]-N-[2-(1-ethylbenzimidazol-2-yl)ethyl]pyrrolidine-1-carboxamide
SMILESCCn1c(CCNC(=O)N2CC[C@@H](CN(C)C)C2)nc2ccccc21
InChIInChI=1S/C19H29N5O/c1-4-24-17-8-6-5-7-16(17)21-18(24)9-11-20-19(25)23-12-10-15(14-23)13-22(2)3/h5-8,15H,4,9-14H2,1-3H3,(H,20,25)/t15-/m0/s1
InChIKeyTZMPTOASQJAEFU-HNNXBMFYSA-N
MW343.48 g/mol
LogP2.19
Rot. Bonds6

About (3S)-3-[(dimethylamino)methyl]-N-[2-(1-ethylbenzimidazol-2-yl)ethyl]pyrrolidine-1-carboxamide

(3S)-3-[(dimethylamino)methyl]-N-[2-(1-ethylbenzimidazol-2-yl)ethyl]pyrrolidine-1-carboxamide (PubChem CID 99626639) has the molecular formula C19H29N5O and a molecular weight of 343.48 g/mol. Its IUPAC name is (3S)-3-[(dimethylamino)methyl]-N-[2-(1-ethylbenzimidazol-2-yl)ethyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(3S)-3-[(dimethylamino)methyl]-N-[2-(1-ethylbenzimidazol-2-yl)ethyl]pyrrolidine-1-carboxamide
PubChem CID99626639
Molecular FormulaC19H29N5O
Molecular Weight343.48 g/mol
Exact Mass343.24
IUPAC Name(3S)-3-[(dimethylamino)methyl]-N-[2-(1-ethylbenzimidazol-2-yl)ethyl]pyrrolidine-1-carboxamide
SMILESCCn1c(CCNC(=O)N2CC[C@@H](CN(C)C)C2)nc2ccccc21
InChIInChI=1S/C19H29N5O/c1-4-24-17-8-6-5-7-16(17)21-18(24)9-11-20-19(25)23-12-10-15(14-23)13-22(2)3/h5-8,15H,4,9-14H2,1-3H3,(H,20,25)/t15-/m0/s1
InChIKeyTZMPTOASQJAEFU-HNNXBMFYSA-N
XLogP2.19
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.48
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3S)-3-[(dimethylamino)methyl]-N-[2-(1-ethylbenzimidazol-2-yl)ethyl]pyrrolidine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-(1-ethylbenzimidazol-2-yl)ethylcarbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122122873
4-[2-(2,5-dimethylpyrrolidin-1-yl)ethyl]-N-[2-(1-ethylbenzimidazol-2-yl)ethyl]piperazine-1-carboxamide
CID 166195946
(3R)-1-acetyl-N-[2-(1-ethylbenzimidazol-2-yl)ethyl]piperidine-3-carboxamide
CID 95235828
N-[2-(1-ethylbenzimidazol-2-yl)ethyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 111428120
N-[2-(1-ethylbenzimidazol-2-yl)ethyl]-2,2-dimethylpropanamide
CID 751289
N-[2-(1-ethylbenzimidazol-2-yl)ethyl]-3-methyl-2,3-dihydroindole-1-carboxamide
CID 86863132
3-[(dimethylamino)methyl]-N-(2-naphthalen-2-ylethyl)pyrrolidine-1-carboxamide
CID 91661425
(2S)-2-ethyl-N-[2-(1-ethylbenzimidazol-2-yl)ethyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 99831186
N-[2-(1-ethylbenzimidazol-2-yl)ethyl]prop-2-enamide
CID 16980199
(2R)-2-amino-N-[2-(1-ethylbenzimidazol-2-yl)ethyl]propanamide
CID 119866308
3-(hydroxymethyl)-N-[3-(2-methylbenzimidazol-1-yl)propyl]pyrrolidine-1-carboxamide
CID 111443524
N-[2-(1-ethylbenzimidazol-2-yl)ethyl]-1-hydroxycyclopentane-1-carboxamide
CID 110909164

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[(dimethylamino)methyl]-N-[2-(1-ethylbenzimidazol-2-yl)ethyl]pyrrolidine-1-carboxamide?
The IUPAC name of (3S)-3-[(dimethylamino)methyl]-N-[2-(1-ethylbenzimidazol-2-yl)ethyl]pyrrolidine-1-carboxamide (CID 99626639) is (3S)-3-[(dimethylamino)methyl]-N-[2-(1-ethylbenzimidazol-2-yl)ethyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for (3S)-3-[(dimethylamino)methyl]-N-[2-(1-ethylbenzimidazol-2-yl)ethyl]pyrrolidine-1-carboxamide?
The canonical SMILES for (3S)-3-[(dimethylamino)methyl]-N-[2-(1-ethylbenzimidazol-2-yl)ethyl]pyrrolidine-1-carboxamide is CCn1c(CCNC(=O)N2CC[C@@H](CN(C)C)C2)nc2ccccc21.
What is the InChIKey of (3S)-3-[(dimethylamino)methyl]-N-[2-(1-ethylbenzimidazol-2-yl)ethyl]pyrrolidine-1-carboxamide?
The InChIKey is TZMPTOASQJAEFU-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H29N5O/c1-4-24-17-8-6-5-7-16(17)21-18(24)9-11-20-19(25)23-12-10-15(14-23)13-22(2)3/h5-8,15H,4,9-14H2,1-3H3,(H,20,25)/t15-/m0/s1.
What are the key properties of (3S)-3-[(dimethylamino)methyl]-N-[2-(1-ethylbenzimidazol-2-yl)ethyl]pyrrolidine-1-carboxamide?
(3S)-3-[(dimethylamino)methyl]-N-[2-(1-ethylbenzimidazol-2-yl)ethyl]pyrrolidine-1-carboxamide has a molecular weight of 343.48 g/mol, XLogP of 2.19, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[(dimethylamino)methyl]-N-[2-(1-ethylbenzimidazol-2-yl)ethyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 99626639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).